2-[(2S)-1-(3-phenylpropyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(4-phenylthiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(4-phenyl-2-thiazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-phenylpropyl)-4-[(4-phenylthiazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C25H32N3OS+ MolecularWeight: 422.60608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CCCC2=CC=CC=C2)CCO)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CCCC2=CC=CC=C2)CCO)CC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3OS/c29-17-13-23-18-27(15-16-28(23)14-7-10-21-8-3-1-4-9-21)19-25-26-24(20-30-25)22-11-5-2-6-12-22/h1-6,8-9,11-12,20,23,29H,7,10,13-19H2/p+1/t23-/m0/s1